1122173

Source:http://linkedlifedata.com/resource/chembl/compound/1122173

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1058
chemicalCompound:standardIn...	InChI=1S/C12H14N4.ClH/c1-2-4-11-10(3-1)14-9-12(15-11)16-7-5-13-6-8-16;/h1-4,9,13H,5-8H2;1H
chemicalCompound:standardIn...	IJAJTINZUSOXDQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1CN(CCN1)c2cnc3ccccc3n2
chemicalCompound:molecularF...	C12H15ClN4
chemicalCompound:moleculeId	1122173
chemicalCompound:mwFreebase	214.266
chemicalCompound:alogp	1.416
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.001
chemicalCompound:acdLogD	-0.083
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	250.727
chemicalCompound:acdMostBpk...	8.578
chemicalCompound:chemblId	CHEMBL1743602
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222173
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1041726, activity:1041727, activity:1041728, activity:1041729, activity:1041730, activity:1041731